Molecule card · MolClass #92252

AZM244

AZM244: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

MolClass ID: 92252
InChIKey: UXUGSRGUYLQZBM-UHFFFAOYSA-N
Canonical SMILES: N#CC=2C(=O)NC(=NC=2(c1ccccc1))SCCc3ccccc3
Standard InChI: InChI=1S/C19H15N3OS/c20-13-16-17(15-9-5-2-6-10-15)21-19(22-18(16)23)24-12-11-14-7-3-1-4-8-14/h1-10H,11-12H2,(H,21,22,23)
Stored Murcko scaffold: N1=C(SCCc2ccccc2)N[CH]C=C1c3ccccc3

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 90.55 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 333.409 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.49; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM244